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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:lobophytumin D
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Accession:CHEBI:69562 term browser browse the term
Definition:A diterpenoid that is 1,2,3,4,4a,5,6,8a-octahydronaphthalene substituted by methyl groups at positions 4a and 8 and a 6-methylhepta-1,5-dien-2-yl group at position 2 (the 2S,4aR,8aR-stereoisomer). It has been isolated from from the Hainan soft coral Lobophytum cristatum.
Synonyms:exact_synonym: (2S,4aR,8aR)-4a,8-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
 related_synonym: Formula=C20H32;   InChI=1S/C20H32/c1-15(2)8-6-9-16(3)18-11-13-20(5)12-7-10-17(4)19(20)14-18/h8,10,18-19H,3,6-7,9,11-14H2,1-2,4-5H3/t18-,19-,20+/m0/s1;   InChIKey=MVDYCHZUKVXVBG-SLFFLAALSA-N;   SMILES=CC(C)=CCCC(=C)[C@H]1CC[C@@]2(C)CCC=C(C)[C@@H]2C1
 xref: PMID:21954851;   Reaxys:21975505


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  CHEBI ontology 19761
    role 19711
      biological role 19711
        biochemical role 19301
          metabolite 19282
            marine metabolite 5170
              coral metabolite 0
                lobophytumin D 0
Path 2
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  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic molecule 19493
                              organic cyclic compound 19318
                                carbocyclic compound 18296
                                  carbopolycyclic compound 17048
                                    carbobicyclic compound 5816
                                      octahydronaphthalenes 15
                                        lobophytumin D 0
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